2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole

C10H13N5O2S2 — CID 47267371

IUPAC2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13N5O2S2/c16-19(17,9-7-12-13-8-9)15-4-2-14(3-5-15)10-11-1-6-18-10/h1,6-8H,2-5H2,(H,12,13)
InChIKeyOPXMJZAQIJDJCV-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.38
Rot. Bonds3

About 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole

2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 47267371) has the molecular formula C10H13N5O2S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
PubChem CID47267371
Molecular FormulaC10H13N5O2S2
Molecular Weight299.38 g/mol
Exact Mass299.05
IUPAC Name2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13N5O2S2/c16-19(17,9-7-12-13-8-9)15-4-2-14(3-5-15)10-11-1-6-18-10/h1,6-8H,2-5H2,(H,12,13)
InChIKeyOPXMJZAQIJDJCV-UHFFFAOYSA-N
XLogP0.38
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole (CID 47267371) is 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole is O=S(=O)(c1cn[nH]c1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is OPXMJZAQIJDJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2/c16-19(17,9-7-12-13-8-9)15-4-2-14(3-5-15)10-11-1-6-18-10/h1,6-8H,2-5H2,(H,12,13).
What are the key properties of 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 299.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-4-ylsulfonyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 47267371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).